4osp | pdb_00004osp

The crystal structure of urdamycin C-6 ketoreductase domain UrdMred with bound NADP and rabelomycin

spinqualitylabelsall models 4osp, resolution 2.25Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4osp is a 4 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 2V4, NAP Related: 4oso Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Angucyclines are tetracyclic polyketides produced by Streptomyces bacteria that exhibit notable biological activities. The great diversity of angucyclinones is generated in tailoring reactions, which modify the common benz[a]anthraquinone carbon skeleton. In particular, the opposite stereochemistry of landomycins and urdamycins/gaudimycins at C-6 is generated by the short-chain alcohol dehydrogenases/reductases LanV and UrdMred/CabV, respectively. Here we present crystal structures of LanV and UrdMred in complex with NADP+ and the product analog rabelomycin, which enabled us to identify four regions associated with the functional differentiation. The structural analysis was confirmed in chimeragenesis experiments focusing on these regions adjacent to the active site cavity, which led to reversal of the activities of LanV and CabV. The results surprisingly indicated that the conformation of the substrate and the stereochemical outcome of 6-ketoreduction appear to be intimately linked. Structure-Based Engineering of Angucyclinone 6-Ketoreductases.,Patrikainen P, Niiranen L, Thapa K, Paananen P, Tahtinen P, Mantsala P, Niemi J, Metsa-Ketela M Chem Biol. 2014 Sep 3. pii: S1074-5521(14)00249-X. doi:, 10.1016/j.chembiol.2014.07.017. PMID:25200607 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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